CID 6331794

Base Information

• Chemical Name: CID 6331794
• CAS No.: 138844-81-2
• Molecular Formula: C9H22NNaO7P2
• Molecular Weight: 355.24
• Hs Code.: 29319090
• European Community (EC) Number: 682-157-0
• NCI Thesaurus Code: C1670
• RXCUI: 236916
• Mol file: 138844-81-2.mol

Synonyms:(1-hydroxy-3-(methylpentylamino)propylidene)bisphosphonate;1-hydroxy-3-(methylpentylamino)propylidenebisphosphonate;BM 21.0955;BM 210955;BM-21.0955;BM-210955;BM21.0955;BM210955;Bondronat;Boniva;Bonviva;ibandronate;ibandronate sodium;Ibandronate Sodium Anhydrous;ibandronic acid;ibandronic acid, sodium salt, monohydrate;RPR 102289A;RPR-102289A;RPR102289A

Chemical Property of CID 6331794

Chemical Property:

• Vapor Pressure: 2.88E-16mmHg at 25°C
• Boiling Point: 587.8 °C at 760 mmHg
• Flash Point: 309.3 °C
• PSA: 160.98000
• LogP: 0.93820
• Storage Temp.: 2-8°C
• Solubility.: H2O: >10mg/mL
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 342.08474535
• Heavy Atom Count: 20
• Complexity: 342

Purity/Quality:

99% ^*data from raw suppliers

Ibandronate sodium salt ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O.[Na]
• Recent ClinicalTrials: S0307 Phase III Trial of Bisphosphonates as Adjuvant Therapy for Primary Breast Cancer.
• Description: ibandronate sodium (BONIVA) is a nitrogen-containing bisphosphonate that inhibits osteoclast-mediated bone resorption. The chemical name for ibandronate sodium is 3-(N-methyl-N-pentyl) amino-1-hydroxypropane-1,1-diphosphonic acid, monosodium salt, monohydrate with the molecular formula C9H22NO7P2Na?H20 and a molecular weight of 359.24. Ibandronate sodium is a white-to off-white powder. It is freely soluble in water and practically insoluble in organic solvents.BONIVA is available as a white, oblong, 2.5-mg film-coated tablet for daily oral administration or as a white, oblong, 150-mg film-coated tablet for once-monthly oral administration. One 2.5-mg film-coated tablet contains 2.813 mg ibandronate monosodium monohydrate, equivalent to 2.5 mg free acid. One 150-mg film-coated tablet contains 168.75 mg ibandronate monosodium monohydrate, equivalent to 150 mg free acid. BONIVA also contains the following inactive ingredients: lactose monohydrate, povidone, microcrystalline cellulose, crospovidone, purified stearic acid, colloidal silicon dioxide, and purified water. The tablet film coating contains hypromellose, titanium dioxide, talc, polyethylene glycol 6000, and purified water.
• Uses: Ibandronate sodium salt has been used to study its effect on the proliferation and ultrastructure of Leishmania and Giardia by the generation of concentration curves. It has also been used to elucidate the route by which nitrogen-containing bisphosphonates (N-BPs) enter the cytosol and inhibit their molecular target.
• Clinical Use: Ibandronate sodium was approved in May 2003 for the treatment and prevention of osteoporosis in postmenopausal women.

Technology Process of CID 6331794

There total 1 articles about CID 6331794 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

ibandronic acid (114084-78-5) → ibandronic acid monosodium salt (138844-81-2)

Guidance literature:

With sodium hydroxide; In water; at 20 ℃; for 2.5h;

upstream raw materials:

ibandronic acid

Refernces